input word = C00054518

Metabolite InformationStructural formula
Name Aromadendrin 7-rutinoside
Formula C27H32O15
Mw 596.17412036
CAS RN 1018672-25-7
C_ID C00054518
InChIKey PYIMHEMPXQWEHX-KFCITOHVSA-N
InChICode InChI=1S/C27H32O15/c1-9-17(30)20(33)23(36)26(39-9)38-8-15-18(31)21(34)24(37)27(42-15)40-12-6-13(29)16-14(7-12)41-25(22(35)19(16)32)10-2-4-11(28)5-3-10/h2-7,9,15,17-18,20-31,33-37H,8H2,1H3/t9-,15+,17-,18+,20+,21-,22-,23+,24+,25+,26?,27+/m0/s1
SMILES O[C@@H]1[C@@H](COC2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)O[C@@H](OC3=CC(O[C@H](C4=CC=C(O)C=C4)[C@@H](O)C5=O)=C5C(O)=C3)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus unshiu Ref.
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